Showing results (361-370 of 440) with videos related to
Sort By:
Pageof 44
Angewandte Chemie (International Ed. in English)|July 22, 2014
Functionalized graphene as a gatekeeper for chiral molecules: an alternative concept for chiral separationAndreas W Hauser, Narbe Mardirossian, Julien A Panetier, et al.Journal of Chemical Theory and Computation|April 24, 2026
An Improved Size-Consistent Second-Order Brillouin-Wigner Perturbation Theory: Which Desirable Properties Are Compatible with Unconditional Size-Consistency and Optimized Chemical Accuracy?Yao Shen, Zhenling Wang, Linus Bjarne Dittmer, et al.Angewandte Chemie (International Ed. in English)|September 13, 2025
Can Charge Transfer Across C─H⋅⋅⋅O Hydrogen Bonds Stabilize Oil Droplets in Water?Ruoqi Zhao, Hengyuan Shen, R Allen LaCour, et al.Angewandte Chemie (International Ed. in English)|August 5, 2026
Reply to the Correspondence on "Can Charge Transfer Across C-H···O Hydrogen Bonds Stabilize Oil Droplets in Water?"Ruoqi Zhao, Hengyuan Shen, R Allen LaCour, et al.The Journal of Chemical Physics|August 1, 2016
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementationYuezhi Mao, Paul R Horn, Narbe Mardirossian, et al.The Journal of Physical Chemistry Letters|December 13, 2016
Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related FunctionalsNarbe Mardirossian, Luis Ruiz Pestana, James C Womack, et al.Inorganic Chemistry|May 28, 2020
Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO2 Reduction: Key Roles for Intramolecular Interactions in CO2 Binding and Proton TransferMatthias Loipersberger, David Z Zee, Julien A Panetier, et al.The Journal of Physical Chemistry. A|July 13, 2006
Nitrogen activation via three-coordinate molybdenum complexes: comparison of density functional theory performance with wave function based methodsDavid C Graham, Gregory J O Beran, Martin Head-Gordon, et al.Journal of Chemical Theory and Computation|July 7, 2025
Regularized Second-Order Møller-Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule ProblemsZhenling Wang, Tianyi Shi, Weiliang Luo, et al.The Journal of Chemical Physics|October 27, 2016
TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force fieldJacek Dziedzic, Yuezhi Mao, Yihan Shao, et al.Pageof 44